Basic information
- CAS
163452-73-1- Standard SMILES
Cn1cnc2c(=O)[nH]cc(Br)c21- InChIKey
RXERNKSTSSWUPU-UHFFFAOYSA-N- Molecular formula
- C7H6BrN3O
- Average molar mass
- 228.05 g/mol
- Monoisotopic mass
- 226.96942
Names & identifiers
- Preferred name
- 7-Bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one
- IUPAC
- 7-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-one
- English name
- 7-bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one(WXC05963)
- Molecular formula
- C7H6BrN3O
- Molecular weight
- 228.05
Names & synonyms
7-Bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one163452-73-17-Bromo-1-methyl-1H-imidazo(4,5-c)pyridin-4(5H)-oneRefChem:545587958-184-17-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-oneMFCD001823637-Bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4-ol7-bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one(WXC05963)Oprea1_026582SCHEMBL16475143SCHEMBL18787933
Show more names
SY242345WS-02354CS-0172428F4995127-Bromo-1,5-dihydro-1-methyl-4H-imidazo[4,5-c]pyridin-4-one7-bromo-1-methyl-1,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one4H-Imidazo[4,5-c]pyridin-4-one, 7-bromo-1,5-dihydro-1-methyl-7-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-one - [B83439]
Database identifiers
- CAS
163452-73-1- PubChem CID
- 915511
- EC Number
- 958-184-1
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 548.7 · 548.7±50.0 °C(Predicted)
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 10.81 · 10.81±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers18 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
济南尚博生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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